CID 12628602

5,7-dichlorothieno[3,2-b]pyridine

Structural Information

Molecular Formula
C7H3Cl2NS
SMILES
C1=CSC2=C1N=C(C=C2Cl)Cl
InChI
InChI=1S/C7H3Cl2NS/c8-4-3-6(9)10-5-1-2-11-7(4)5/h1-3H
InChIKey
GACWBJMFVQODCY-UHFFFAOYSA-N
Compound name
5,7-dichlorothieno[3,2-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

202.93633 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.943606 134.0
[M+Na]+ 225.925548 148.1
[M-H]- 201.929054 138.2
[M+NH4]+ 220.970153 157.3
[M+K]+ 241.899488 142.4
[M+H-H2O]+ 185.933590 130.4
[M+HCOO]- 247.934531 145.2
[M+CH3COO]- 261.950181 149.0
[M+Na-2H]- 223.910996 138.7
[M]+ 202.93578142 140.6
[M]- 202.93687858 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe